>compound (+-)-alpha-Lipoic acid_(+-)-alpha-Lipoic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C8H14O2S2
#smiles OC(=O)CCCCC(C1)SSC1
#RECORD LC-ESI-QTOF_train_data/PR100548.txt
>charge -1
>ionization [M-H]-
>parentmass 205.03572

>collision 5-60
63.945 52.11
64.953 94.47
93.0699 60.92
127.0568 101.3
159.0464 19.1
171.0457 369.0
205.0357 22.27

